ethane;1-(2H-tetrazol-5-yl)ethanone

C7H16N4O — CID 145003587

IUPACethane;1-(2H-tetrazol-5-yl)ethanone
SMILESCC.CC.CC(=O)c1nn[nH]n1
InChIInChI=1S/C3H4N4O.2C2H6/c1-2(8)3-4-6-7-5-3;2*1-2/h1H3,(H,4,5,6,7);2*1-2H3
InChIKeyWOUGLCUFEJRZGP-UHFFFAOYSA-N
MW172.23 g/mol
LogP1.45
Rot. Bonds1

About ethane;1-(2H-tetrazol-5-yl)ethanone

ethane;1-(2H-tetrazol-5-yl)ethanone (PubChem CID 145003587) has the molecular formula C7H16N4O and a molecular weight of 172.23 g/mol. Its IUPAC name is ethane;1-(2H-tetrazol-5-yl)ethanone.

Molecular Properties

Compound Nameethane;1-(2H-tetrazol-5-yl)ethanone
PubChem CID145003587
Molecular FormulaC7H16N4O
Molecular Weight172.23 g/mol
Exact Mass172.13
IUPAC Nameethane;1-(2H-tetrazol-5-yl)ethanone
SMILESCC.CC.CC(=O)c1nn[nH]n1
InChIInChI=1S/C3H4N4O.2C2H6/c1-2(8)3-4-6-7-5-3;2*1-2/h1H3,(H,4,5,6,7);2*1-2H3
InChIKeyWOUGLCUFEJRZGP-UHFFFAOYSA-N
XLogP1.45
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethane;1-(2H-tetrazol-5-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 11804706
CID 11804706
CID 283976
CID 283976
CID 53996970
CID 53996970
CID 58432616
CID 58432616
CID 131977054
CID 131977054
CID 143630465
CID 143630465
CID 144859129
CID 144859129
CID 156809476
CID 156809476
CID 159373133
CID 159373133
CID 160051662
CID 160051662
CID 161165743
CID 161165743
CID 161768817
CID 161768817

Frequently Asked Questions

What is the IUPAC name of ethane;1-(2H-tetrazol-5-yl)ethanone?
The IUPAC name of ethane;1-(2H-tetrazol-5-yl)ethanone (CID 145003587) is ethane;1-(2H-tetrazol-5-yl)ethanone.
What is the SMILES notation for ethane;1-(2H-tetrazol-5-yl)ethanone?
The canonical SMILES for ethane;1-(2H-tetrazol-5-yl)ethanone is CC.CC.CC(=O)c1nn[nH]n1.
What is the InChIKey of ethane;1-(2H-tetrazol-5-yl)ethanone?
The InChIKey is WOUGLCUFEJRZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N4O.2C2H6/c1-2(8)3-4-6-7-5-3;2*1-2/h1H3,(H,4,5,6,7);2*1-2H3.
What are the key properties of ethane;1-(2H-tetrazol-5-yl)ethanone?
ethane;1-(2H-tetrazol-5-yl)ethanone has a molecular weight of 172.23 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(2H-tetrazol-5-yl)ethanone is sourced from PubChem (CID 145003587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).